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137270-01-0 | 2-Naphthalenecarboxylic acid, 6-(decyloxy)-1,2,3,4-tetrahydro-
CAS No: 137270-01-0 Catalog No: AG001318 MDL No:
Product Description
Catalog Number:
AG001318
Chemical Name:
2-Naphthalenecarboxylic acid, 6-(decyloxy)-1,2,3,4-tetrahydro-
CAS Number:
137270-01-0
Molecular Formula:
C21H32O3
Molecular Weight:
332.4770
IUPAC Name:
6-decoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-14-24-20-13-12-17-15-19(21(22)23)11-10-18(17)16-20/h12-13,16,19H,2-11,14-15H2,1H3,(H,22,23)
InChI Key:
RNAGNIMZVDMTQZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc2c(c1)CCC(C2)C(=O)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.235g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.484g/mol
Monoisotopic Mass:
332.235g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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